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Compile Data Set for Download or QSAR

Found 47 hits from California Institute of Technology   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93022
PNG
(Indole-6-carboxamide | Indole-7-carboxamide)
Show SMILES NC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-2-1-6-3-4-11-8(6)5-7/h1-5,11H,(H2,10,12)
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6.00E+5n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93022
PNG
(Indole-6-carboxamide | Indole-7-carboxamide)
Show SMILES NC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-2-1-6-3-4-11-8(6)5-7/h1-5,11H,(H2,10,12)
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6.00E+5n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93022
PNG
(Indole-6-carboxamide | Indole-7-carboxamide)
Show SMILES NC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-2-1-6-3-4-11-8(6)5-7/h1-5,11H,(H2,10,12)
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6.00E+5n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93014
PNG
(Indole-2-carboxamide)
Show SMILES NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H8N2O/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,(H2,10,12)
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6.40E+5n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93014
PNG
(Indole-2-carboxamide)
Show SMILES NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H8N2O/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,(H2,10,12)
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7.00E+5n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93022
PNG
(Indole-6-carboxamide | Indole-7-carboxamide)
Show SMILES NC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-2-1-6-3-4-11-8(6)5-7/h1-5,11H,(H2,10,12)
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9.80E+5n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93022
PNG
(Indole-6-carboxamide | Indole-7-carboxamide)
Show SMILES NC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-2-1-6-3-4-11-8(6)5-7/h1-5,11H,(H2,10,12)
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9.80E+5n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93016
PNG
(Indole-3-carboxamide)
Show SMILES NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)
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1.24E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93020
PNG
(Indole-5-carboxamide)
Show SMILES NC(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H,(H2,10,12)
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1.30E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93016
PNG
(Indole-3-carboxamide)
Show SMILES NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)
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1.30E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93016
PNG
(Indole-3-carboxamide)
Show SMILES NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)
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1.30E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93020
PNG
(Indole-5-carboxamide)
Show SMILES NC(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H,(H2,10,12)
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1.33E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93020
PNG
(Indole-5-carboxamide)
Show SMILES NC(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H,(H2,10,12)
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1.35E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93016
PNG
(Indole-3-carboxamide)
Show SMILES NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)
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1.37E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93021
PNG
(Indole-6-carboxylate | Indole-7-carboxylate)
Show SMILES COC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3
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1.44E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93021
PNG
(Indole-6-carboxylate | Indole-7-carboxylate)
Show SMILES COC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3
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1.48E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93021
PNG
(Indole-6-carboxylate | Indole-7-carboxylate)
Show SMILES COC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3
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1.50E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93019
PNG
(Indole-5-carboxylate)
Show SMILES COC(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-2-3-9-7(6-8)4-5-11-9/h2-6,11H,1H3
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2.60E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93019
PNG
(Indole-5-carboxylate)
Show SMILES COC(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-2-3-9-7(6-8)4-5-11-9/h2-6,11H,1H3
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2.80E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93019
PNG
(Indole-5-carboxylate)
Show SMILES COC(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-2-3-9-7(6-8)4-5-11-9/h2-6,11H,1H3
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3.00E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93015
PNG
(Indole-3-carboxylate)
Show SMILES OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
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4.00E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93018
PNG
(Indole-4-carboxamide)
Show SMILES NC(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,(H2,10,12)
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4.00E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93018
PNG
(Indole-4-carboxamide)
Show SMILES NC(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,(H2,10,12)
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4.20E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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4.20E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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4.40E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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4.50E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93018
PNG
(Indole-4-carboxamide)
Show SMILES NC(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,(H2,10,12)
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4.50E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93015
PNG
(Indole-3-carboxylate)
Show SMILES OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
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4.50E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93015
PNG
(Indole-3-carboxylate)
Show SMILES OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
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4.90E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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5.70E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93015
PNG
(Indole-3-carboxylate)
Show SMILES OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
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7.60E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93021
PNG
(Indole-6-carboxylate | Indole-7-carboxylate)
Show SMILES COC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3
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8.20E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93021
PNG
(Indole-6-carboxylate | Indole-7-carboxylate)
Show SMILES COC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3
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8.60E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93021
PNG
(Indole-6-carboxylate | Indole-7-carboxylate)
Show SMILES COC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3
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9.00E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93017
PNG
(Indole-4-carboxylate)
Show SMILES COC(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3
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1.02E+7n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93017
PNG
(Indole-4-carboxylate)
Show SMILES COC(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3
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1.10E+7n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM93017
PNG
(Indole-4-carboxylate)
Show SMILES COC(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3
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1.14E+7n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM224012
PNG
(Capzimin)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
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n/an/a 340n/an/an/an/a7.530



California Institute of Technology



Assay Description
Fluorescence polarization assays were performed in low-volume 384-well solid black plates (Molecular Devices) in quadruplicate. The assays were perfo...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
BRISC complex


(Homo sapiens (Human))
BDBM224012
PNG
(Capzimin)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
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n/an/a 2.30E+3n/an/an/an/an/an/a



California Institute of Technology



Assay Description
BRCC36 activity was measured using 1 nM purified BRISC complex and 80 nM di-ubiquitin substrate DiUbK63TAMRA (UF-310, Boston Biochem). TAMRA fluoresc...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM224013
PNG
(8-Mercaptoquinoline (8TQ))
Show SMILES Sc1cccc2cccnc12
Show InChI InChI=1S/C9H7NS/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
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n/an/a 2.40E+3n/an/an/an/a7.530



California Institute of Technology



Assay Description
Fluorescence polarization assays were performed in low-volume 384-well solid black plates (Molecular Devices) in quadruplicate. The assays were perfo...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
STAM-binding protein (AMSH)


(Homo sapiens (Human))
BDBM224012
PNG
(Capzimin)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
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n/an/a 4.50E+3n/an/an/an/an/an/a



California Institute of Technology



Assay Description
AMSH activity was measured using 10 nM purified AMSH (E-548B, Boston Biochem) and 80 nM di-ubiquitin substrate DiUbK63TAMRA (UF-310, Boston Biochem)....


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
COP9 signalosome complex subunit 5 (Csn5)


(Homo sapiens (Human))
BDBM224012
PNG
(Capzimin)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
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n/an/a 3.00E+4n/an/an/an/a7.5n/a



California Institute of Technology



Assay Description
Csn5 activity was measured using purified CSN complex and the fluorescent substrate OGNedd8–SCFSkp2, in which a unique cysteine engineered into ...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
Glyoxalase 1 (GLO1)


(Homo sapiens (Human))
BDBM224012
PNG
(Capzimin)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
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n/an/a 4.28E+4n/an/an/an/a7.025



California Institute of Technology



Assay Description
Assays were carried out in 100 mM sodium phosphate, pH 7.0 buffer using 96-well Clear UV Plate (Corning UV Transparent Microplates; catalog #3635). A...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM224012
PNG
(Capzimin)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
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n/an/a>5.00E+4n/an/an/an/a7.537



California Institute of Technology



Assay Description
The assay was carried out in white NUNC 96-well plates as previously described [Puerta et al., J. Biol. Inorg. Chem., 11:131-138]. Each well containe...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM224012
PNG
(Capzimin)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
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n/an/a>5.00E+4n/an/an/an/a7.537



California Institute of Technology



Assay Description
The assay was carried out in white NUNC 96-well plates as previously described [Puerta et al., J. Biol. Inorg. Chem., 11:131-138]. Each well containe...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM224012
PNG
(Capzimin)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
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n/an/a>5.00E+4n/an/an/an/a8.025



California Institute of Technology



Assay Description
Assays were run in 50 mM HEPES (pH 8.0). A BioTek Synergy H4 microplate sample processor was used. The compounds were incubated with protein (final c...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM224012
PNG
(Capzimin)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
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n/an/a>2.00E+5n/an/an/an/a8.037



California Institute of Technology



Assay Description
The enzyme was diluted with 25 mM Tris-Cl, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 0.1 mg/ml BSA, pH 8.0 buffer and its activity was measured by using S...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair